N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide

C13H23N5O — CID 60807791

IUPACN-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCN(C(=O)C(C)n1cncn1)C1CCNCC1
InChIInChI=1S/C13H23N5O/c1-3-8-17(12-4-6-14-7-5-12)13(19)11(2)18-10-15-9-16-18/h9-12,14H,3-8H2,1-2H3
InChIKeyXJGMUKDJCJHDCN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.83
Rot. Bonds5

About N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide

N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60807791) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID60807791
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCCN(C(=O)C(C)n1cncn1)C1CCNCC1
InChIInChI=1S/C13H23N5O/c1-3-8-17(12-4-6-14-7-5-12)13(19)11(2)18-10-15-9-16-18/h9-12,14H,3-8H2,1-2H3
InChIKeyXJGMUKDJCJHDCN-UHFFFAOYSA-N
XLogP0.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 54923886
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106627060
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-ethyl-N-(piperidin-3-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106629632
2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826421
3-methoxy-2-methyl-N-piperidin-4-yl-N-propylpropanamide
CID 119824204
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-ethyl-N-piperidin-4-yl-2-propylpentanamide
CID 82986952
2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119826397
N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119825937
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 106608720
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide (CID 60807791) is N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide is CCCN(C(=O)C(C)n1cncn1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XJGMUKDJCJHDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-8-17(12-4-6-14-7-5-12)13(19)11(2)18-10-15-9-16-18/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide?
N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60807791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).